osmium;pyridine-2-carboxylic acid;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine

C24H23N5O2Os — CID 171575278

IUPACosmium;pyridine-2-carboxylic acid;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
SMILESO=C(O)c1ccccn1.[Os].c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1
InChIInChI=1S/C18H18N4.C6H5NO2.Os/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;8-6(9)5-3-1-2-4-7-5;/h1-12H,13-15H2;1-4H,(H,8,9);
InChIKeyYHWRKJMRIQQRLG-UHFFFAOYSA-N
MW603.71 g/mol
LogP3.85
Rot. Bonds7

About osmium;pyridine-2-carboxylic acid;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine

osmium;pyridine-2-carboxylic acid;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine (PubChem CID 171575278) has the molecular formula C24H23N5O2Os and a molecular weight of 603.71 g/mol. Its IUPAC name is osmium;pyridine-2-carboxylic acid;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound Nameosmium;pyridine-2-carboxylic acid;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
PubChem CID171575278
Molecular FormulaC24H23N5O2Os
Molecular Weight603.71 g/mol
Exact Mass605.15
IUPAC Nameosmium;pyridine-2-carboxylic acid;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
SMILESO=C(O)c1ccccn1.[Os].c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1
InChIInChI=1S/C18H18N4.C6H5NO2.Os/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;8-6(9)5-3-1-2-4-7-5;/h1-12H,13-15H2;1-4H,(H,8,9);
InChIKeyYHWRKJMRIQQRLG-UHFFFAOYSA-N
XLogP3.85
TPSA92.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500603.71
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of osmium;pyridine-2-carboxylic acid;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine?
The IUPAC name of osmium;pyridine-2-carboxylic acid;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine (CID 171575278) is osmium;pyridine-2-carboxylic acid;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for osmium;pyridine-2-carboxylic acid;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for osmium;pyridine-2-carboxylic acid;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine is O=C(O)c1ccccn1.[Os].c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1.
What is the InChIKey of osmium;pyridine-2-carboxylic acid;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine?
The InChIKey is YHWRKJMRIQQRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4.C6H5NO2.Os/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;8-6(9)5-3-1-2-4-7-5;/h1-12H,13-15H2;1-4H,(H,8,9);.
What are the key properties of osmium;pyridine-2-carboxylic acid;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine?
osmium;pyridine-2-carboxylic acid;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine has a molecular weight of 603.71 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for osmium;pyridine-2-carboxylic acid;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 171575278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).